Comments (4)
@kaizadp Did you perhaps change the example code incorrectly in 9a13165 ?
On this branch, the two files in inst/extdata/kfp_hysteresis/spectra_mnova
are 29.csv
and 34.csv
, which are both two-column, no header. But the example is
sdir <- system.file("extdata", "kfp_hysteresis", "spectra_mnova", package = "nmrrr")
nmr_import_peaks(path = sdir, method = "multiple columns")
...and "multiple columns" is expecting to see nine-column groups. 😮
The old nmr_import_peaks
example (on the master branch) is
pdir <- system.file("extdata", "meb_burn", "peaks_topspin", package = "nmrrr")
nmr_import_peaks(path = pdir, method = "topspin")
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Also, we can look/talk about file sizes. But it's OK to have extra stuff in the repo that's not in the package, I think.
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also -- our spectra files were really big for some of the examples (amp and meb). I tried really hard, but was unable to bring down the file size significantly. So I moved those to the old
folder for now, so they are not part of the package. Can we leave them on the GitHub repo, so users can play with these datasets if they want? Or if it's not in the package, it should not be in the repo?
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UGH.
-
The issue with
nmr_import_peaks
examples was because of wrong file paths (sigh). Now fixed.
9a0c124
6c3113e -
The spectra files were somehow messed up when I tried to shorten them by deleting rows outside of 0-10 ppm. Something to do with how the files were saved from MNova? Fixed those by re-exporting only 0-10 ppm data directly from MNova.
f6f3e78
4244917
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Related Issues (20)
- relabund with topspin (peaks method) HOT 1
- gg_spectra facets/stagger HOT 5
- different programs and file types HOT 2
- Test datasets are too big HOT 1
- KP_TODO
- Bin assignment HOT 3
- assign_compound_classes_v2 HOT 1
- Status HOT 10
- compute_relabund_treatments HOT 1
- Be wary of 'helpful' steps
- Function naming HOT 1
- nmr_plot_spectra parameter names HOT 4
- `extdata` files HOT 1
- Checking vignettes and vignette input files HOT 1
- final (?) push! HOT 8
- setting defaults for graph function? HOT 5
- checks HOT 8
- CMD CHECK --as-cran HOT 4
- Update package README and citation()
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